6MLD

Crystal structure of the periplasmic Lysine-, Arginine-, Ornithine-binding protein (LAO) F52A mutant from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	34.758, 76.231, 85.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.681 - 1.660
R-factor	0.1647
Rwork	0.161
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lao
RMSD bond length	0.006
RMSD bond angle	0.987
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.660	1.660
Rmerge	0.097	0.784
Number of reflections	27708	2632
<I/σ(I)>	25.7	2.1
Completeness [%]	99.9	99.6
Redundancy	10.6	5.9
CC(1/2)		0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	0.2 M Sodium acetate trihydrate. 0.1 M Sodium cacodylate trihydrate pH 6.5 30% w/v Polyethylene glycol 8,000